(3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate
TL;DR: (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate (CAS 714937-31-2) is a chemical compound with molecular formula C20H17N3O7 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate
Also Known As: 2-acetyl-7-ethoxy-3-(((4-nitrobenzoyl)oxy)methyl)quinoxaline 1-oxide, (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate, (3-acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 4-nitrobenzoate
| Molecular Formula | C20H17N3O7 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 2.7347 |
| Topological Polar Surface Area | 135.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.10666 |
| Heavy Atoms | 30 |
| Complexity | 1143.3405 |
Chemical Identifiers
| CAS Number | 714937-31-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate (CAS 714937-31-2), with molecular formula C20H17N3O7 and molecular weight 411.11 g/mol. IUPAC: (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate.
Chemical Property Profile of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate
Property Insights of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate
The XLogP value of 2.7347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate. The TPSA of 135.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate?
The CAS number of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate is 714937-31-2.
What is the molecular formula of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate?
The molecular formula of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate is C20H17N3O7.
What is the molecular weight of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate?
The molecular weight of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate is 411.11 g/mol.
Where can I buy (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate?
You can request a quote for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.